ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
2
3
4
5
6
...
60
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes nh2k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-84.2593967821; Eh
	8-Nov-2018	/vacuum/complexes saucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-626.868442305; Eh
	8-Nov-2018	/vacuum/complexes sih3-k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-319.599511211; Eh
	9-Nov-2018	/vacuum/complexes nh2feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-633.328929140; Eh
	8-Nov-2018	/vacuum/complexes imno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-341.392991248; Eh
	9-Nov-2018	/vacuum/complexes nh2cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-368.768007797; Eh
	9-Nov-2018	/vacuum/complexes imidazolZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2574.77111422; Eh
	9-Nov-2018	/vacuum/complexes imidazolwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-860.170519118; Eh
	9-Nov-2018	/vacuum/complexes imidazolptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-844.979827364; Eh
	9-Nov-2018	/vacuum/complexes imidazolmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-555.929562545; Eh

Results 21-30 of 592 (Search time: 0.001 seconds).